Chem
J-GLOBAL ID：200907022479455310
Nikkaji number：J2.444.899A
N-Acetyl-Nle-Ala-His-D-Phe-Arg-3-(2-naphthyl)-Ala-NH2
N-アセチル-Nle-Ala-His-D-Phe-Arg-3-(2-ナフチル)-Ala-NH2
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C45H60N12O7
Molecular formula furigana： C45-H60-N12-O7
Molecular weight： 881.052
InChI：
InChI=1S/C45H60N12O7/c1-4-5-16-34(53-28(3)58)41(61)52-27(2)40(60)56-38(24-33-25-49-26-51-33)44(64)57-37(22-29-12-7-6-8-13-29)43(63)54-35(17-11-20-50-45(47)48)42(62)55-36(39(46)59)23-30-18-19-31-14-9-10-15-32(31)21-30/h6-10,12-15,18-19,21,25-27,34-38H,4-5,11,16-17,20,22-24H2,1-3H3,(H2,46,59)(H,49,51)(H,52,61)(H,53,58)(H,54,63)(H,55,62)(H,56,60)(H,57,64)(H4,47,48,50)/t27-,34-,35-,36-,37+,38-/m0/s1
InChI key：
BNRALZYAEGPRAL-XJVAENRWSA-N
SMILES：
CCCC[C@H](NC(=O)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N
Systematic name (3)：
- N-アセチル-Nle-Ala-His-D-Phe-Arg-3-(2-ナフチル)-Ala-NH2
- (2S)-N-[(1S)-1-{[(1S)-1-{[(1R)-1-{[(1S)-4-カルバムイミドアミド-1-{[(1S)-1-カルバモイル-2-(ナフタレン-2-イル)エチル]カルバモイル}ブチル]カルバモイル}-2-フェニルエチル]カルバモイル}-2-(1H-イミダゾール-4-イル)エチル]カルバモイル}エチル]-2-アセトアミドヘキサンアミド
- (2S)-N-[(1S)-1-{[(1S)-1-{[(1R)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(naphthalen-2-yl)ethyl]carbamoyl}butyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}ethyl]-2-acetamidohexanamide
- N-Acetyl-Nle-Ala-His-D-Phe-Arg-3-(2-naphthyl)-Ala-NH2
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